SCHEMBL755887

SCHEMBL755887

CC(C)(C)OC(=O)NCCCC(O)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 3/20 0.47
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA12 O43570 6/20 0.40
CA9 Q16790 6/20 0.40
HTT P42858 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
POLB P06746 1/20 0.38
MIF P14174 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL755781 0.92 MEN1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL30015389 0.83 SERPINE1 (0.40) MEN1KMT2AGAATDP1HTT
SCHEMBL25400155 0.83 SERPINE1 (0.40) MEN1KMT2AGAATDP1HTT
SCHEMBL6854629 0.83 SERPINE1 (0.40) MEN1KMT2AGAATDP1HTT
SCHEMBL16984476 0.81 MEN1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL13405157 0.81 MEN1 (0.48) MEN1KMT2AGAATDP1MAOA
SCHEMBL12143236 0.81 TDP1 (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL3056923 0.80 TDP1 (0.54) MEN1KMT2AGAATDP1MAOA
SCHEMBL31236578 0.80 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL13451785 0.79 TDP1 (0.57) MEN1KMT2AGAATDP1MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908759-B1 3,4-dihydro-3-amino-2H-1-benzopyrane and -benzothiopyrane derivatives as dopamine-beta-hydroxylase Inhibitors and methods of their preparation BIAL PORTELA & CA SA (PT) 2012-03-21 EP disclosed
EP-1908760-B1 Chromane and thiochromane-3-yl-1,3-dihydroimidazoles as inhibitors of dopamine-beta-hydroxylase and methods of their preparation BIAL PORTELA & CA SA (PT) 2011-04-13 EP disclosed
EP-1911757-B1 Method of preparation of 3-(1,3-Dihydroimidazole-2-thione-1-yl)-chromanes and thiochromanes as dopamine-beta-hydroxylase inhibitors PORTELA & CA SA (PT) 2011-03-02 EP disclosed
EP-1914233-B1 Silyl-protected hydroxymethyl-carbamoylalkyl-ketones as intermediates in the preparation of dopamine-beta-hydroxylase inhibitors PORTELA & CA SA (PT) 2011-03-02 EP disclosed
US-20040142996-A1 Peripherally-selective inhibitors of dopamine-beta-hydroxylase and method of their preparation PORTELA & C.A., S.A. (PT) 2004-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040142996-A1 Peripherally-selective inhibitors of dopamine-beta-hydroxylase and method of their preparation DBH, ADRB1, ADRB3 MEN1 3669/4885KMT2A 2388/4885GAA 2321/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.